SCHEMBL25682292

SCHEMBL25682292

CNc1cc(NC)c([N+](=O)[O-])cc1N

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.47
HTT P42858 1/20 0.45
MAPT P10636 8/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 3/20 0.42
LMNA P02545 2/20 0.42
GALR2 O43603 1/20 0.42
TDP1 Q9NUW8 4/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
CDC25B P30305 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10981845 0.86 HCAR3 (0.55) HCAR3HTTMAPTALDH1A1KMT2A
SCHEMBL25599234 0.85 ALDH1A1 (0.49) HCAR3HTTMAPTALDH1A1KMT2A
SCHEMBL2473868 0.85 ALDH1A1 (0.46) HCAR3HTTMAPTALDH1A1KMT2A
SCHEMBL8349171 0.84 ALDH1A1 (0.45) HCAR3HTTMAPTALDH1A1KMT2A
SCHEMBL25205988 0.84 ALDH1A1 (0.53) HCAR3HTTMAPTALDH1A1KMT2A
SCHEMBL20750204 0.84 TDP1 (0.42) HCAR3HTTMAPTALDH1A1KMT2A
SCHEMBL17261901 0.81 HTT (0.50) HCAR3HTTMAPTALDH1A1KMT2A
SCHEMBL29392110 0.81 HTT (0.50) HCAR3HTTMAPTALDH1A1KMT2A
SCHEMBL10612556 0.80 MAPT (0.44) HCAR3HTTMAPTALDH1A1KMT2A
SCHEMBL28366340 0.77 MAPT (0.43) HCAR3HTTMAPTALDH1A1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192844-A1 HUMANIZED ANTI-CD3 ANTIBODIES, CONJUGATES AND USES THEREOF THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2023-06-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230192844-A1 HUMANIZED ANTI-CD3 ANTIBODIES, CONJUGATES AND USES THEREOF CD2, CD47, KLK3 HCAR3 402/4885HTT 900/4885MAPT 1103/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.